8020-5429 Screening compound: 2,4-dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate

8020-5429 Screening compound: 2,4-dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate
8020-5429 Screening compound: 2,4-dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5429
2,4-dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8020-5429

Molecular Formula

C14H13BrN2O4 (C14 H13 BrN2 O4)

Compound Name

2,4-dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate

IUPAC name

24-dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-24-dicarboxylate

SMILES

COC(c(c(N)c1C(OC)=O)cn1-c1cccc(Br)c1)=O

InChI

InChI=1S/C14H13BrN2O4/c1-20-13(18)10-7-17(9-5-3-4-8(15)6-9)12(11(10)16)14(19)21-2/h3-7H,16H2,1-2H3

InChI Key

PLVQQTFMXLGJOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.16

Polar Surface Area

63.690

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8020-5429 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8020-5429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5429?
Check Price and Availability of 8020-5429, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-5429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5429
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8020-5429 available by request